CID 135418284

Lcb-2183

Structural Information

Molecular Formula

C₉H₁₀N₄O₂

SMILES

CCOCC1=NC2=NC=CN=C2C(=O)N1

InChI

InChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)

InChIKey

SFWVULIFVPNTOF-UHFFFAOYSA-N

Compound name

2-(ethoxymethyl)-3H-pteridin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 77
Patents: 206.08037 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.087646	144.4
[M+Na]+	229.069588	154.9
[M-H]-	205.073094	142.5
[M+NH4]+	224.114193	158.4
[M+K]+	245.043528	150.8
[M+H-H2O]+	189.077630	135.5
[M+HCOO]-	251.078571	162.4
[M+CH3COO]-	265.094221	183.1
[M+Na-2H]-	227.055036	153.8
[M]+	206.07982142	146.1
[M]-	206.08091858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe